General Information of the Compound
| Compound ID |
CP0541342
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| Compound Name |
N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-4-(4,5-diethoxy-2-methylphenyl)-4-oxobutanamide
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| Structure |
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| Formula |
C31H32N2O4S
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| Molecular Weight |
528.674
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| Canonical SMILES |
CCOc1cc(C)c(cc1OCC)C(=O)CCC(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
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| InChI |
InChI=1S/C31H32N2O4S/c1-4-36-26-18-21(3)24(20-27(26)37-5-2)25(34)16-17-29(35)32-31-33-30(23-14-10-7-11-15-23)28(38-31)19-22-12-8-6-9-13-22/h6-15,18,20H,4-5,16-17,19H2,1-3H3,(H,32,33,35)
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| InChIKey |
JNJQFLCWWUSMFO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound